General Information of the Compound
| Compound ID |
CP0544851
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| Compound Name |
2-chloro-4-[(2S,3S)-3-hydroxy-2,3-dimethyl-5-oxopyrrolidin-1-yl]benzonitrile
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| Structure |
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| Formula |
C13H13ClN2O2
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| Molecular Weight |
264.712
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| Canonical SMILES |
C[C@@H]1N(C(=O)C[C@]1(C)O)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C13H13ClN2O2/c1-8-13(2,18)6-12(17)16(8)10-4-3-9(7-15)11(14)5-10/h3-5,8,18H,6H2,1-2H3/t8-,13-/m0/s1
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| InChIKey |
IBQKFSGCUBNVIY-SDBXPKJASA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound